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Ligand

NameCHEMBL2261605
Molecular formulaC23H27BrClN5O4
IUPAC name[(4aS,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(5-bromofuran-2-yl)methanone;hydrochloride
Molecular weight552.854
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyFRGDMYZRAPGDCP-MOGJOVFKSA-N
Inchi IDInChI=1S/C23H26BrN5O4.ClH/c1-31-18-11-13-14(12-19(18)32-2)26-23(27-21(13)25)29-10-9-28(15-5-3-4-6-16(15)29)22(30)17-7-8-20(24)33-17;/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3,(H2,25,26,27);1H/t15-,16-;/m0./s1
PubChem CID76330228
ChEMBLCHEMBL2261605
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
85392Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
85397Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
85395Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
85396Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
85393Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
85394Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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